CID 73827

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H7ClN4O2
SMILES
COC(=O)C1=C(N=C(C(=N1)Cl)N)N
InChI
InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)
InChIKey
KOOBYHRLTYIPTH-UHFFFAOYSA-N
Compound name
methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

202.02576 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03304 139.5
[M+Na]+ 225.01498 150.0
[M-H]- 201.01848 140.6
[M+NH4]+ 220.05958 156.3
[M+K]+ 240.98892 146.8
[M+H-H2O]+ 185.02302 133.1
[M+HCOO]- 247.02396 158.3
[M+CH3COO]- 261.03961 187.2
[M+Na-2H]- 223.00043 144.0
[M]+ 202.02521 140.3
[M]- 202.02631 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe